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5-Hydroxy-4-methylfuran-2(5H)-one - 97%, high purity , CAS No.40834-42-2

COA

Grade & Purity:

≥97%

Cas Number: 40834-42-2
Molecular Weight: 114.10
PubChem CID: 115301

In stock

Item Number

H193289

Grouped product items
SKU	Size	Availability	Price
H193289-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
H193289-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
H193289-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
H193289-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
H193289-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$149.90

View related series

furan (202)

Basic Description

Synonyms	DS-1694 \| SCHEMBL363396 \| GEO-03047 \| 4-hydroxy-3-methylbut-2-enolide \| EC 609-869-6 \| 2-hydroxy-3-methyl-2H-furan-5-one \| 5-hydroxy-4-methylfuran-2(5H)-one \| DTXSID30961251 \| J-509619 \| AKOS006284931 \| 2(5H)-Furanone, 5-hydroxy-4-methyl- \| 5-Hydroxy-4-me
Specifications & Purity	≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	application： 5-Hydroxy-4-methyl-2(5H)-furanone is a non-halogenated furanone used in studies to verify the mutagenicity of halogen substituted furanones.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dihydrofurans
    - Subclass Furanones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dihydrofurans
Subclass	Furanones
Intermediate Tree Nodes	Not available
Direct Parent	Butenolides
Alternative Parents	Enoate esters Lactones Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	2-furanone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Hemiacetal - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-hydroxy-3-methyl-2H-furan-5-one
INCHI	InChI=1S/C5H6O3/c1-3-2-4(6)8-5(3)7/h2,5,7H,1H3
InChIKey	XRNPHZPFAWLRNJ-UHFFFAOYSA-N
Smiles	CC1=CC(=O)OC1O
Isomeric SMILES	CC1=CC(=O)OC1O
Molecular Weight	114.10
Reaxy-Rn	1561665
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1561665&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO, Methanol (Slightly)
Molecular Weight	114.100 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	114.032 Da
Monoisotopic Mass	114.032 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	148.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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